methyl 2-[3-(bromomethyl)-4-oxidanylidene-phthalazin-1-yl]ethanoate

Systemtic Name: methyl 2-[3-(bromomethyl)-4-oxidanylidene-phthalazin-1-yl]ethanoate Openeye Name: methyl 2-[3-(bromomethyl)-4-oxo-phthalazin-1-yl]acetate CAS Name: 2-[3-(bromomethyl)-4-oxo-1-phthalazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(bromomethyl)-4-oxophthalazin-1-yl]acetate Traditional Name: 2-[3-(bromomethyl)-4-keto-phthalazin-1-yl]acetic acid methyl ester Formula: C12H11BrN2O3 MolecularWeight: 311.13134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CBr

Isomeric SMILES

COC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CBr

InChI

InChI=1S/C12H11BrN2O3/c1-18-11(16)6-10-8-4-2-3-5-9(8)12(17)15(7-13)14-10/h2-5H,6-7H2,1H3